N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine

C27H28F3NP2 — CID 88874792

IUPACN-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine
SMILESCC(C)N(P(c1ccccc1F)C1C=CC=CC1)P(c1ccccc1F)C1CC=CC=C1F
InChIInChI=1S/C27H28F3NP2/c1-20(2)31(32(21-12-4-3-5-13-21)25-17-9-6-14-22(25)28)33(26-18-10-7-15-23(26)29)27-19-11-8-16-24(27)30/h3-12,14-18,20-21,27H,13,19H2,1-2H3
InChIKeyUGVPZOLHXFYGNP-UHFFFAOYSA-N
MW485.47 g/mol
LogP7.49
Rot. Bonds7

About N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine

N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine (PubChem CID 88874792) has the molecular formula C27H28F3NP2 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine.

Molecular Properties

Compound NameN-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine
PubChem CID88874792
Molecular FormulaC27H28F3NP2
Molecular Weight485.47 g/mol
Exact Mass485.16
IUPAC NameN-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine
SMILESCC(C)N(P(c1ccccc1F)C1C=CC=CC1)P(c1ccccc1F)C1CC=CC=C1F
InChIInChI=1S/C27H28F3NP2/c1-20(2)31(32(21-12-4-3-5-13-21)25-17-9-6-14-22(25)28)33(26-18-10-7-15-23(26)29)27-19-11-8-16-24(27)30/h3-12,14-18,20-21,27H,13,19H2,1-2H3
InChIKeyUGVPZOLHXFYGNP-UHFFFAOYSA-N
XLogP7.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.47
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine?
The IUPAC name of N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine (CID 88874792) is N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine.
What is the SMILES notation for N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine?
The canonical SMILES for N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine is CC(C)N(P(c1ccccc1F)C1C=CC=CC1)P(c1ccccc1F)C1CC=CC=C1F.
What is the InChIKey of N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine?
The InChIKey is UGVPZOLHXFYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NP2/c1-20(2)31(32(21-12-4-3-5-13-21)25-17-9-6-14-22(25)28)33(26-18-10-7-15-23(26)29)27-19-11-8-16-24(27)30/h3-12,14-18,20-21,27H,13,19H2,1-2H3.
What are the key properties of N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine?
N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine has a molecular weight of 485.47 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine is sourced from PubChem (CID 88874792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).